In Silico ADME/Tox Profiling of Mushroom Secondary Metabolites

Abstract

Traditional medicinal plant examination has increased in recent years since plants enable them to supplement current pharmaceutical treatments. In silico screening and pharmacokinetic screening, which employ computer mechanics, can increase the number of active compounds and reveal their mechanism of action. In silico ADME screening is less expensive, quicker, and more secure than in vivo ADME testing, which is lengthy, costly, and dangerous for animals. The SwissADME and protox‐II are free tools that offer free accessibility to various chemical attributes, after receiving the structures of the examined compounds in canonical SMILES format. A total of 50 viable compounds from mushrooms that had been previously described in the research were tested for ADME qualities and toxicity, and their outcomes were then analyzed. Future research will be aided by an understanding of a compound‘s ADME/T properties, and the findings will be helpful to scientists.